Subject: Re: CCL:g98 oscillator strengths

From: Ulrike Salzner <[email-masked]>
Date: Tue, 13 Feb 2001 08:32:47 +0200 (EET)

There is a brand new article by Hsu, Hirata, and Head-Gordon, J. Phys.
Chem. A, 2001, 105, 451-458 on TDDFT excitation energies and oscillator
strength of linear polyenes. There are also references and comparisons
with other methods and wit experiment.
Best wishes,
Ulrike Salzner

===================================================================

Dr. Ulrike Salzner
Associate Professor
Department of Chemistry		Tel.: (312) 290-2122
Bilkent University		Fax.: (312) 266-5097
06533 Bilkent, Ankara 		e-mail: [email-masked]
Turkey

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On Mon, 12 Feb 2001, Christos Garoufalis wrote:

> Dear CCL'ers
> How reliable are the oscillator strengths derived by a TDDFT
> calculation with g98? Does anyone has any experience with it? And how can one force g98 to print them out
> with more decimal digits?
> 
> Thanks in advance
> _________________________
> C. S. Garoufalis,
> Department of Physics, 
> University of Patras, Greece
> _________________________
>